WIN 66306

WIN 66306

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Category Enzyme inhibitors
Catalog number BBF-01636
CAS
Molecular Weight 800.9
Molecular Formula C41H52N8O9

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Description

WIN 66306 is a nonpeptide antagonist of Neurokinin, which is isolated from Aspergillus sp. SC230.

Specification

Synonyms WIN-66306
IUPAC Name (2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]-N-[2-[[(2S)-1-[[2-[[(1R,2S)-1-hydroxy-1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-3-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-2,3-dihydropyrrole-2-carboxamide
Canonical SMILES CC(C)C(C(=O)NCC(=O)NC(C=O)C(C1=CC(=C(C=C1)O)CC=C(C)C)O)NC(=O)CNC(=O)C2CC=CN2C(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)CN
InChI InChI=1S/C41H52N8O9/c1-23(2)11-12-25-16-26(13-14-33(25)51)38(55)31(22-50)47-35(53)20-45-40(57)37(24(3)4)48-36(54)21-44-39(56)32-10-7-15-49(32)41(58)30(46-34(52)18-42)17-27-19-43-29-9-6-5-8-28(27)29/h5-9,11,13-16,19,22,24,30-32,37-38,43,51,55H,10,12,17-18,20-21,42H2,1-4H3,(H,44,56)(H,45,57)(H,46,52)(H,47,53)(H,48,54)/t30-,31+,32-,37-,38+/m0/s1
InChI Key MZGWPVIVGCXMPX-QFXPHGGCSA-N

Properties

Appearance White Powder

Reference Reading

1. WIN 66306, a new neurokinin antagonist produced by an Aspergillus species: fermentation, isolation and physico-chemical properties
C J Barrow, D M Sedlock, H H Sun, R Cooper, A M Gillum J Antibiot (Tokyo). 1994 Nov;47(11):1182-7. doi: 10.7164/antibiotics.47.1182.
WIN 66306 (1a), a cyclic peptide containing a novel amino acid, was isolated as a neurokinin antagonist from an Aspergillus species, labelled SC230. Conditions that maximized the production of 1a were developed, leading also to production of the related compound WIN 68577 (2) and rosellichalasin (3). Both 2 and 3 were more active in the rat NK1 than in the human NK1 receptor binding assay, while 1a was more active at the human receptor with an inhibitor affinity constant of 7 microM.

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Bio Calculators

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* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2

* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O c22h30n40
g/mol
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